Geometry & MOs

Info

ID:	23790
PubChem CID:	606098
Reduced:	ClO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	292.026914
ΔH_f, kcal/mol:	-194.51
Dipole, Da:	5.09
IP(EA), eV:	-9.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-2,4-dihydroxy-6-pentylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=C(C(=C1Cl)O)Cl)O)C(=O)O

DOS

IR

Vibrations